1-[2-(4-methylphenyl)-2-oxoethyl]-5-thiophen-2-yl-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-2-one

Formula:C24H22N2O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[2-(4-methylphenyl)-2-oxoethyl]-5-thiophen-2-yl-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-2-one is a drug-like molecule.

MolName	1-[2-(4-methylphenyl)-2-oxoethyl]-5-thiophen-2-yl-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-2-one
MolecularFormula	C24H22N2O2S2
Smiles	Cc(cc1)ccc1C(CN(c(sc1c2CCCC1)c2C(c1cccs1)=NC1)C1=O)=O
InChI	InChI=1S/C24H22N2O2S2/c1-15-8-10-16(11-9-15)18(27)14-26-21(28)13-25-23(20-7-4-12-29-20)22-17-5-2-3-6-19(17)30-24(22)26/h4,7-12H,2-3,5-6,13-14H2,1H3
InChIK	PMEWFFVGFRKHMV-UHFFFAOYSA-N
TotalMolweight	434.583
Molweight	434.583
MonoisotopicMass	434.112268
CLogP	4.762
CLogS	-7.158
H Acceptors	4
TotalSurfaceArea	321.25
Relative PSA	0.25482
PolarSurfaceArea	106.22
Druglikeness	1.558
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - 1-[2-(4-methylphenyl)-2-oxoethyl]-5-thiophen-2-yl-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-2-one | 2 - 1-[2-(4-methylphenyl)-2-oxoethyl]-5-thiophen-2-yl-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-2-one

Request More Details | 1-[2-(4-methylphenyl)-2-oxoethyl]-5-thiophen-2-yl-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-2-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments